N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine

C15H40N4OS2 — CID 170954466

IUPACN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCCCNC.CNCCCNCS(C)(C)OSC
InChIInChI=1S/C8H22N2OS2.C7H18N2/c1-9-6-5-7-10-8-13(3,4)11-12-2;1-3-5-9-7-4-6-8-2/h9-10H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3
InChIKeyQRADTFSQEWOABE-UHFFFAOYSA-N
MW356.65 g/mol
LogP2.01
Rot. Bonds14

About N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine

N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine (PubChem CID 170954466) has the molecular formula C15H40N4OS2 and a molecular weight of 356.65 g/mol. Its IUPAC name is N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine
PubChem CID170954466
Molecular FormulaC15H40N4OS2
Molecular Weight356.65 g/mol
Exact Mass356.26
IUPAC NameN'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCCCNC.CNCCCNCS(C)(C)OSC
InChIInChI=1S/C8H22N2OS2.C7H18N2/c1-9-6-5-7-10-8-13(3,4)11-12-2;1-3-5-9-7-4-6-8-2/h9-10H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3
InChIKeyQRADTFSQEWOABE-UHFFFAOYSA-N
XLogP2.01
TPSA57.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[2-[2-(propylamino)ethyl]hydrazinyl]propan-1-amine
CID 90704191
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine
CID 158681878
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 170744113
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748

Frequently Asked Questions

What is the IUPAC name of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine (CID 170954466) is N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine is CCCNCCCNC.CNCCCNCS(C)(C)OSC.
What is the InChIKey of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is QRADTFSQEWOABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2OS2.C7H18N2/c1-9-6-5-7-10-8-13(3,4)11-12-2;1-3-5-9-7-4-6-8-2/h9-10H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3.
What are the key properties of N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine?
N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 356.65 g/mol, XLogP of 2.01, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[dimethyl(methylsulfanyloxy)-λ4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 170954466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).